Home Sulfos 3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide

3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide

CAS No.:
272451-65-7
Catalog Number:
AG003JLQ
Molecular Formula:
C23H22F7IN2O4S
Molecular Weight:
682.3901
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Product Description
Catalog Number:
AG003JLQ
Chemical Name:
3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide
CAS Number:
272451-65-7
Molecular Formula:
C23H22F7IN2O4S
Molecular Weight:
682.3901
MDL Number:
MFCD09953911
IUPAC Name:
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
InChI:
InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
InChI Key:
ZGNITFSDLCMLGI-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F
EC Number:
608-064-7
UNII:
GEV84ZI4K6
Properties
Complexity:
968  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.023g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
682.392g/mol
Monoisotopic Mass:
682.023g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
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